(1S)-N-methyl-1-phenylprop-2-yn-1-amine

C10H11N — CID 142199409

IUPAC(1S)-N-methyl-1-phenylprop-2-yn-1-amine
SMILESC#C[C@H](NC)c1ccccc1
InChIInChI=1S/C10H11N/c1-3-10(11-2)9-7-5-4-6-8-9/h1,4-8,10-11H,2H3/t10-/m0/s1
InChIKeyYHONTVCWQYAEOL-JTQLQIEISA-N
MW145.20 g/mol
LogP1.58
Rot. Bonds2

About (1S)-N-methyl-1-phenylprop-2-yn-1-amine

(1S)-N-methyl-1-phenylprop-2-yn-1-amine (PubChem CID 142199409) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is (1S)-N-methyl-1-phenylprop-2-yn-1-amine.

Molecular Properties

Compound Name(1S)-N-methyl-1-phenylprop-2-yn-1-amine
PubChem CID142199409
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name(1S)-N-methyl-1-phenylprop-2-yn-1-amine
SMILESC#C[C@H](NC)c1ccccc1
InChIInChI=1S/C10H11N/c1-3-10(11-2)9-7-5-4-6-8-9/h1,4-8,10-11H,2H3/t10-/m0/s1
InChIKeyYHONTVCWQYAEOL-JTQLQIEISA-N
XLogP1.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(methylamino)-2-phenylacetonitrile
CID 28518542
N-(1-phenylprop-2-ynyl)acetamide
CID 15014547
2-methyl-N-(1-phenylprop-2-ynyl)cyclopropan-1-amine
CID 130839568
(R)-2-methyl-N-[(1S)-1-phenylprop-2-ynyl]propane-2-sulfinamide
CID 135086048
2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide
CID 122211944
(1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride
CID 11969836
benzaldehyde;2-(methylamino)-2-phenylacetonitrile
CID 159320881
1-(5-bromothiophen-3-yl)-N-methylprop-2-yn-1-amine
CID 105158411
N-[(1S)-1-phenylprop-2-ynyl]-4-(trifluoromethyl)aniline
CID 24879884
1-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine
CID 104995350
carbon dioxide;N-methyl-1-phenylethanamine
CID 91452394
1-bromoprop-2-ynylbenzene
CID 14359223

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-phenylprop-2-yn-1-amine?
The IUPAC name of (1S)-N-methyl-1-phenylprop-2-yn-1-amine (CID 142199409) is (1S)-N-methyl-1-phenylprop-2-yn-1-amine.
What is the SMILES notation for (1S)-N-methyl-1-phenylprop-2-yn-1-amine?
The canonical SMILES for (1S)-N-methyl-1-phenylprop-2-yn-1-amine is C#C[C@H](NC)c1ccccc1.
What is the InChIKey of (1S)-N-methyl-1-phenylprop-2-yn-1-amine?
The InChIKey is YHONTVCWQYAEOL-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11N/c1-3-10(11-2)9-7-5-4-6-8-9/h1,4-8,10-11H,2H3/t10-/m0/s1.
What are the key properties of (1S)-N-methyl-1-phenylprop-2-yn-1-amine?
(1S)-N-methyl-1-phenylprop-2-yn-1-amine has a molecular weight of 145.20 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-phenylprop-2-yn-1-amine is sourced from PubChem (CID 142199409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).